Collective dynamics in atomistic models with coupled translational and spin degrees of freedom

Dilina Perera, Don M. Nicholson, Markus Eisenbach, G. Malcolm Stocks, David P. Landau

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25 Scopus citations

Abstract

Using an atomistic model that simultaneously treats the dynamics of translational and spin degrees of freedom, we perform combined molecular and spin dynamics simulations to investigate the mutual influence of the phonons and magnons on their respective frequency spectra and lifetimes in ferromagnetic bcc iron. By calculating the Fourier transforms of the space- and time-displaced correlation functions, the characteristic frequencies and the linewidths of the vibrational and magnetic excitation modes were determined. Comparison of the results with that of the stand-alone molecular dynamics and spin dynamics simulations reveals that the dynamic interplay between the phonons and magnons leads to a shift in the respective frequency spectra and a decrease in the lifetimes. Moreover, in the presence of lattice vibrations, additional longitudinal magnetic excitations were observed with the same frequencies as the longitudinal phonons.

Original languageEnglish
Article number014431
JournalPhysical Review B
Volume95
Issue number1
DOIs
StatePublished - Jan 26 2017

Funding

This work was sponsored by the Center for Defect Physics, an Energy Frontier Research Center of the Office of Basic Energy Sciences (BES), U.S. Department of Energy (DOE); the later stages of the work of G.M.S. and M.E. were supported by the Materials Sciences and Engineering Division of BES, US-DOE. We also acknowledge the computational resources provided by the Georgia Advanced Computing Resource Center.

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